| CAS Number | 1150271-15-0 |
| Catalog Number | AG000FP9(AGN-PC-0WAEFM) |
| Chemical Name | N-Benzyl 2-bromo-4-nitroaniline |
| IUPAC Name | N-benzyl-2-bromo-4-nitroaniline |
| InChI | InChI=1S/C13H11BrN2O2/c14-12-8-11(16(17)18)6-7-13(12)15-9-10-4-2-1-3-5-10/h1-8,15H,9H2 |
| InChI Key | KFZNBRDIUGUIKO-UHFFFAOYSA-N |
| MDL Number | MFCD12026039 |
| Molecular Formula | C13H11BrN2O2 |
| Molecular Weight | 307.1426 |
| SMILES | Brc1cc(ccc1NCc1ccccc1)[N+](=O)[O-] |
| Synonyms | N-Benzyl-2-bromo-4-nitroaniline,
1150271-15-0,
N-Benzyl 2-bromo-4-nitroaniline,
ACMC-2099os,
CTK4A9117,
DTXSID50656334,
ANW-16826,
MFCD12026039,
ZINC37131241,
AKOS009930548,
RTR-002825,
AJ-93694,
ST2407416,
TR-002825,
Z7602,
A-5127,
Benzenemethanamine, N-(2-bromo-4-nitrophenyl)-,
I14-25133,
C13H11BrN2O2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.147g/mol |
| Monoisotopic Mass | 306g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number